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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16FNO2
Molecular Weight 225.2593
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-[(2-fluoroethyl)amino]benzenepropanoate

SMILES

COC(=O)CCC1=CC(NCCF)=CC=C1

InChI

InChIKey=ZZLUNCQRUALNFR-UHFFFAOYSA-N
InChI=1S/C12H16FNO2/c1-16-12(15)6-5-10-3-2-4-11(9-10)14-8-7-13/h2-4,9,14H,5-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H16FNO2
Molecular Weight 225.2593
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:06:54 GMT 2025
Edited
by admin
on Wed Apr 02 18:06:54 GMT 2025
Record UNII
S7GNC8TS3A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 3-[(2-fluoroethyl)amino]benzenepropanoate
Systematic Name English
Benzenepropanoic acid, 3-[(2-fluoroethyl)amino]-, methyl ester
Preferred Name English
Code System Code Type Description
CAS
737690-98-1
Created by admin on Wed Apr 02 18:06:54 GMT 2025 , Edited by admin on Wed Apr 02 18:06:54 GMT 2025
PRIMARY
PUBCHEM
14598
Created by admin on Wed Apr 02 18:06:54 GMT 2025 , Edited by admin on Wed Apr 02 18:06:54 GMT 2025
PRIMARY
FDA UNII
S7GNC8TS3A
Created by admin on Wed Apr 02 18:06:54 GMT 2025 , Edited by admin on Wed Apr 02 18:06:54 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT